tert-butyl N-[5-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-2-yl]carbamate

C16H27N3O5S — CID 59926713

IUPACtert-butyl N-[5-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(C[C@H](CO)NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C16H27N3O5S/c1-15(2,3)23-13(21)18-10(9-20)7-11-8-17-12(25-11)19-14(22)24-16(4,5)6/h8,10,20H,7,9H2,1-6H3,(H,18,21)(H,17,19,22)/t10-/m1/s1
InChIKeyYZWDDWZIIFLHJY-SNVBAGLBSA-N
MW373.48 g/mol
LogP2.92
Rot. Bonds5

About tert-butyl N-[5-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-2-yl]carbamate

tert-butyl N-[5-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 59926713) has the molecular formula C16H27N3O5S and a molecular weight of 373.48 g/mol. Its IUPAC name is tert-butyl N-[5-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-2-yl]carbamate
PubChem CID59926713
Molecular FormulaC16H27N3O5S
Molecular Weight373.48 g/mol
Exact Mass373.17
IUPAC Nametert-butyl N-[5-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(C[C@H](CO)NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C16H27N3O5S/c1-15(2,3)23-13(21)18-10(9-20)7-11-8-17-12(25-11)19-14(22)24-16(4,5)6/h8,10,20H,7,9H2,1-6H3,(H,18,21)(H,17,19,22)/t10-/m1/s1
InChIKeyYZWDDWZIIFLHJY-SNVBAGLBSA-N
XLogP2.92
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-2-yl]carbamate (CID 59926713) is tert-butyl N-[5-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1ncc(C[C@H](CO)NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[5-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is YZWDDWZIIFLHJY-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H27N3O5S/c1-15(2,3)23-13(21)18-10(9-20)7-11-8-17-12(25-11)19-14(22)24-16(4,5)6/h8,10,20H,7,9H2,1-6H3,(H,18,21)(H,17,19,22)/t10-/m1/s1.
What are the key properties of tert-butyl N-[5-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 373.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 59926713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).